Sucrose versus Trehalose: Observations from Comparative Study Using Molecular Dynamics Simulations.

Binary mixtures of sucrose and trehalose in water were investigated using classical molecular dynamics (MD) simulations and free energy calculations. By classical MD simulations, the behavior of sugars was studied across the entire range of concentrations, from 0 to 100 wt % of water. Sugar-sugar and sugar-water affinities in diluted systems were in focus when using umbrella sampling and well-tempered metadynamics calculations.

[Fatal case of rhinocerebral mucormycosis on the background of type II diabetes mellitus].

Mucormycosis is a disease caused by fungi of the family, widespread in the environment, with pronounced angiotropism and the ability to angioinvasion, leading to thrombosis with surrounding necrosis. The main triggers for the development of mucormycosis are: immunodeficiency states, use of glucocorticosteroid drugs, decompensation of diabetes mellitus, concomitant diseases, age > 65 years. We present a clinical case of rhinocerebral mucormycosis in a 79-year-old patient against the background of uncontrolled type 2 diabetes mellitus with ketoacidosis, a condition after previous glucocorticosteroid therapy for COVID-19 (according to the severity of the disease).

New insights into the protein stabilizing effects of trehalose by comparing with sucrose.

Disaccharides are well known to be efficient stabilizers of proteins, for example in the case of lyophilization or cryopreservation. However, although all disaccharides seem to exhibit bioprotective and stabilizing properties, it is clear that trehalose is generally superior compared to other disaccharides. The aim of this study was to understand this by comparing how the structural and dynamical properties of aqueous trehalose and sucrose solutions influence the protein myoglobin (Mb).

Ionizable lipids penetrate phospholipid bilayers with high phase transition temperatures: perspectives from free energy calculations.

The efficacies of modern gene-therapies strongly depend on their contents. At the same time the most potent formulations might not contain the best compounds. In this work we investigated the effect of phospholipids and their saturation on the binding ability of (6Z,9Z,28Z,31Z)-heptatriacont-6,9,28,31-tetraene-19-yl 4-(dimethylamino) butanoate (DLin-MC3-DMA) to model membranes at the neutral pH.